N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

C14H21ClN4 — CID 106142206

IUPACN-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC(C)(C)CCCCl)nccn2n1
InChIInChI=1S/C14H21ClN4/c1-11-9-12-13(16-7-8-19(12)18-11)17-10-14(2,3)5-4-6-15/h7-9H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyJAFANUUNHPUWDP-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.49
Rot. Bonds6

About N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine

N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 106142206) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID106142206
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCc1cc2c(NCC(C)(C)CCCCl)nccn2n1
InChIInChI=1S/C14H21ClN4/c1-11-9-12-13(16-7-8-19(12)18-11)17-10-14(2,3)5-4-6-15/h7-9H,4-6,10H2,1-3H3,(H,16,17)
InChIKeyJAFANUUNHPUWDP-UHFFFAOYSA-N
XLogP3.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine (CID 106142206) is N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is Cc1cc2c(NCC(C)(C)CCCCl)nccn2n1.
What is the InChIKey of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is JAFANUUNHPUWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-11-9-12-13(16-7-8-19(12)18-11)17-10-14(2,3)5-4-6-15/h7-9H,4-6,10H2,1-3H3,(H,16,17).
What are the key properties of N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine?
N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 280.80 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,2-dimethylpentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 106142206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).